Pigment Orange 69
TL;DR: Pigment Orange 69 (CAS 85959-60-0) is a chemical compound with molecular formula C28H18ClN5O4 and molecular weight 523.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-2-cyano-2-[3-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]isoindol-1-ylidene]acetamide
Also Known As: Pigment Orange 69, EINECS 289-055-1, N-(4-Chlorophenyl)-2-cyano-2-[3-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]isoindol-1-ylidene]acetamide, Acetamide, N-(4-chlorophenyl)-2-cyano-2-[2,3-dihydro-3-[tetrahydro-1-(4-methylphenyl)-2,4,6-trioxo-5(2H)-pyrimidinylidene]-1H-isoindol-1-ylidene]-, (2e)-n-(4-chlorophenyl)-2-cyano-2-[(3z)-3-[1-(4-methylphenyl
| Molecular Formula | C28H18ClN5O4 |
|---|---|
| Molecular Weight | 523.10 g/mol |
| LogP | 3.9176 |
| Topological Polar Surface Area | 140.34 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 523.10474 |
| Heavy Atoms | 38 |
| Complexity | 1825.7317 |
Chemical Identifiers
| CAS Number | 85959-60-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=C(C(=O)NC2=O)C3=NC(=C(C#N)C(=O)NC4=CC=C(C=C4)Cl)C5=CC=CC=C53)O |
Product Overview
Pigment Orange 69 (CAS 85959-60-0), with molecular formula C28H18ClN5O4 and molecular weight 523.10 g/mol. IUPAC: N-(4-chlorophenyl)-2-cyano-2-[3-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]isoindol-1-ylidene]acetamide.
Chemical Property Profile of Pigment Orange 69
Property Insights of Pigment Orange 69
The XLogP value of 3.9176 indicates that Pigment Orange 69 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.34 Ų indicates high polarity, suggesting Pigment Orange 69 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pigment Orange 69 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pigment Orange 69?
The CAS number of Pigment Orange 69 is 85959-60-0.
What is the molecular formula of Pigment Orange 69?
The molecular formula of Pigment Orange 69 is C28H18ClN5O4.
What is the molecular weight of Pigment Orange 69?
The molecular weight of Pigment Orange 69 is 523.10 g/mol.
Where can I buy Pigment Orange 69?
You can request a quote for Pigment Orange 69 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pigment Orange 69?
Yes, KEHONG BIO provides custom synthesis services for Pigment Orange 69 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.